6-[3-[2-[4-(2-phenylquinazolin-4-yl)phenyl]naphthalen-1-yl]phenyl]-1,3-benzoxazole

C43H27N3O — CID 174333593

IUPAC6-[3-[2-[4-(2-phenylquinazolin-4-yl)phenyl]naphthalen-1-yl]phenyl]-1,3-benzoxazole
SMILESc1ccc(-c2nc(-c3ccc(-c4ccc5ccccc5c4-c4cccc(-c5ccc6ncoc6c5)c4)cc3)c3ccccc3n2)cc1
InChIInChI=1S/C43H27N3O/c1-2-10-31(11-3-1)43-45-38-16-7-6-15-37(38)42(46-43)30-19-17-29(18-20-30)36-23-21-28-9-4-5-14-35(28)41(36)34-13-8-12-32(25-34)33-22-24-39-40(26-33)47-27-44-39/h1-27H
InChIKeyQOKRZDPCDGSIPZ-UHFFFAOYSA-N
MW601.71 g/mol
LogP11.26
Rot. Bonds5

About 6-[3-[2-[4-(2-phenylquinazolin-4-yl)phenyl]naphthalen-1-yl]phenyl]-1,3-benzoxazole

6-[3-[2-[4-(2-phenylquinazolin-4-yl)phenyl]naphthalen-1-yl]phenyl]-1,3-benzoxazole (PubChem CID 174333593) has the molecular formula C43H27N3O and a molecular weight of 601.71 g/mol. Its IUPAC name is 6-[3-[2-[4-(2-phenylquinazolin-4-yl)phenyl]naphthalen-1-yl]phenyl]-1,3-benzoxazole.

Molecular Properties

Compound Name6-[3-[2-[4-(2-phenylquinazolin-4-yl)phenyl]naphthalen-1-yl]phenyl]-1,3-benzoxazole
PubChem CID174333593
Molecular FormulaC43H27N3O
Molecular Weight601.71 g/mol
Exact Mass601.22
IUPAC Name6-[3-[2-[4-(2-phenylquinazolin-4-yl)phenyl]naphthalen-1-yl]phenyl]-1,3-benzoxazole
SMILESc1ccc(-c2nc(-c3ccc(-c4ccc5ccccc5c4-c4cccc(-c5ccc6ncoc6c5)c4)cc3)c3ccccc3n2)cc1
InChIInChI=1S/C43H27N3O/c1-2-10-31(11-3-1)43-45-38-16-7-6-15-37(38)42(46-43)30-19-17-29(18-20-30)36-23-21-28-9-4-5-14-35(28)41(36)34-13-8-12-32(25-34)33-22-24-39-40(26-33)47-27-44-39/h1-27H
InChIKeyQOKRZDPCDGSIPZ-UHFFFAOYSA-N
XLogP11.26
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500601.71
LogP ≤ 511.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-[1-[4-(2-phenylquinazolin-4-yl)phenyl]naphthalen-2-yl]-1,3-benzoxazole
CID 174332810
7-[4-[1-[3-(2-phenylquinazolin-4-yl)phenyl]naphthalen-2-yl]phenyl]-1,3-benzoxazole
CID 174333578
2-phenyl-5-[3-[1-[4-(2-phenylquinazolin-4-yl)phenyl]naphthalen-2-yl]phenyl]-1,3-benzoxazole
CID 174333729
5-[1-[4-(3-phenylisoquinolin-1-yl)phenyl]naphthalen-2-yl]-1,3-benzoxazole
CID 174332890
4-[4-[2,3-bis[4-(2-phenylquinazolin-4-yl)phenyl]phenyl]phenyl]-2-phenylquinazoline
CID 170025871
6-[4-[1-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-2-yl]phenyl]-2-methyl-1,3-benzoxazole
CID 174332697
2-(4-phenanthren-2-ylphenyl)-4-[4-[2-(4-phenanthren-2-ylphenyl)quinazolin-4-yl]phenyl]quinazoline
CID 163813527
2-[4-(4-phenylphenyl)phenyl]-4-[3-[3-[4-[4-(4-phenylphenyl)phenyl]quinazolin-2-yl]phenyl]phenyl]quinazoline
CID 146825143
4-phenyl-2-[3-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]quinazoline
CID 155156227
4-[4-[2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-naphthalen-1-ylphenyl]phenyl]-2-phenylquinazoline
CID 170025825
3-[3-(4-phenylquinazolin-2-yl)phenyl]phenanthridine
CID 155792573
2-[3-(3-naphtho[2,3-b][1]benzofuran-3-ylphenyl)phenyl]-4-phenylquinazoline
CID 142293844

Frequently Asked Questions

What is the IUPAC name of 6-[3-[2-[4-(2-phenylquinazolin-4-yl)phenyl]naphthalen-1-yl]phenyl]-1,3-benzoxazole?
The IUPAC name of 6-[3-[2-[4-(2-phenylquinazolin-4-yl)phenyl]naphthalen-1-yl]phenyl]-1,3-benzoxazole (CID 174333593) is 6-[3-[2-[4-(2-phenylquinazolin-4-yl)phenyl]naphthalen-1-yl]phenyl]-1,3-benzoxazole.
What is the SMILES notation for 6-[3-[2-[4-(2-phenylquinazolin-4-yl)phenyl]naphthalen-1-yl]phenyl]-1,3-benzoxazole?
The canonical SMILES for 6-[3-[2-[4-(2-phenylquinazolin-4-yl)phenyl]naphthalen-1-yl]phenyl]-1,3-benzoxazole is c1ccc(-c2nc(-c3ccc(-c4ccc5ccccc5c4-c4cccc(-c5ccc6ncoc6c5)c4)cc3)c3ccccc3n2)cc1.
What is the InChIKey of 6-[3-[2-[4-(2-phenylquinazolin-4-yl)phenyl]naphthalen-1-yl]phenyl]-1,3-benzoxazole?
The InChIKey is QOKRZDPCDGSIPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H27N3O/c1-2-10-31(11-3-1)43-45-38-16-7-6-15-37(38)42(46-43)30-19-17-29(18-20-30)36-23-21-28-9-4-5-14-35(28)41(36)34-13-8-12-32(25-34)33-22-24-39-40(26-33)47-27-44-39/h1-27H.
What are the key properties of 6-[3-[2-[4-(2-phenylquinazolin-4-yl)phenyl]naphthalen-1-yl]phenyl]-1,3-benzoxazole?
6-[3-[2-[4-(2-phenylquinazolin-4-yl)phenyl]naphthalen-1-yl]phenyl]-1,3-benzoxazole has a molecular weight of 601.71 g/mol, XLogP of 11.26, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-[2-[4-(2-phenylquinazolin-4-yl)phenyl]naphthalen-1-yl]phenyl]-1,3-benzoxazole is sourced from PubChem (CID 174333593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).